Monochromator: DCM Si (111) Crystal / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.997 Å / Relative weight: 1
Reflection
Resolution: 1.7→50 Å / % possible obs: 99.9 % / Redundancy: 14.8 % / Rmerge(I) obs: 0.07 / Net I/av σ(I): 4.7 / Net I/σ(I): 50
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Processing
Software
Name
Version
Classification
REFMAC
5.7.0032
refinement
PDB_EXTRACT
3.15
dataextraction
DENZO
datareduction
SCALEPACK
datascaling
PHASER
phasing
Refinement
Resolution: 1.7→34.96 Å / Cor.coef. Fo:Fc: 0.966 / Cor.coef. Fo:Fc free: 0.957 / SU B: 2.019 / SU ML: 0.066 / Cross valid method: THROUGHOUT / ESU R: 0.096 / ESU R Free: 0.096 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.20949
7688
5 %
RANDOM
Rwork
0.17702
-
-
-
obs
0.17868
145553
99.6 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK